6-ethyl-N-[[5-fluoro-2-(methylsulfonylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine

C16H20FN3O2S — CID 133461743

IUPAC6-ethyl-N-[[5-fluoro-2-(methylsulfonylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine
SMILESCCc1cc(NCc2cc(F)ccc2CS(C)(=O)=O)nc(C)n1
InChIInChI=1S/C16H20FN3O2S/c1-4-15-8-16(20-11(2)19-15)18-9-13-7-14(17)6-5-12(13)10-23(3,21)22/h5-8H,4,9-10H2,1-3H3,(H,18,19,20)
InChIKeyGRNBRHDAZPSHEE-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.64
Rot. Bonds6

About 6-ethyl-N-[[5-fluoro-2-(methylsulfonylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine

6-ethyl-N-[[5-fluoro-2-(methylsulfonylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine (PubChem CID 133461743) has the molecular formula C16H20FN3O2S and a molecular weight of 337.42 g/mol. Its IUPAC name is 6-ethyl-N-[[5-fluoro-2-(methylsulfonylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-[[5-fluoro-2-(methylsulfonylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine
PubChem CID133461743
Molecular FormulaC16H20FN3O2S
Molecular Weight337.42 g/mol
Exact Mass337.13
IUPAC Name6-ethyl-N-[[5-fluoro-2-(methylsulfonylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine
SMILESCCc1cc(NCc2cc(F)ccc2CS(C)(=O)=O)nc(C)n1
InChIInChI=1S/C16H20FN3O2S/c1-4-15-8-16(20-11(2)19-15)18-9-13-7-14(17)6-5-12(13)10-23(3,21)22/h5-8H,4,9-10H2,1-3H3,(H,18,19,20)
InChIKeyGRNBRHDAZPSHEE-UHFFFAOYSA-N
XLogP2.64
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-ethyl-N-[[5-fluoro-2-(methylsulfonylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-ethyl-N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine
CID 133472316
1-(2,5-difluorophenyl)-N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 122293495
N,6-diethyl-2-methylpyrimidin-4-amine
CID 62191281
6-bromo-N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpyrimidin-4-amine
CID 106193594
1-[[5-fluoro-2-(methylsulfonylmethyl)phenyl]methyl]-2,3-dimethylguanidine
CID 111824654
1-[[5-fluoro-2-(methylsulfonylmethyl)phenyl]methyl]-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 109446015
6-fluoro-2-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]quinolin-4-amine
CID 133368696
6-ethyl-N-[2-(3-fluorophenoxy)ethyl]-2-methylpyrimidin-4-amine
CID 133459980
1-ethyl-2-[[5-fluoro-2-(methylsulfonylmethyl)phenyl]methyl]-3-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 109445865
6-ethyl-N-[2-(3-fluorophenoxy)propyl]-2-methylpyrimidin-4-amine
CID 133461305
N-[2-(chloromethyl)-2-ethylbutyl]-6-ethyl-2-methylpyrimidin-4-amine
CID 106252837
4-N-[(2,5-difluorophenyl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80818999

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[[5-fluoro-2-(methylsulfonylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-[[5-fluoro-2-(methylsulfonylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine (CID 133461743) is 6-ethyl-N-[[5-fluoro-2-(methylsulfonylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-[[5-fluoro-2-(methylsulfonylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-[[5-fluoro-2-(methylsulfonylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine is CCc1cc(NCc2cc(F)ccc2CS(C)(=O)=O)nc(C)n1.
What is the InChIKey of 6-ethyl-N-[[5-fluoro-2-(methylsulfonylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine?
The InChIKey is GRNBRHDAZPSHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2S/c1-4-15-8-16(20-11(2)19-15)18-9-13-7-14(17)6-5-12(13)10-23(3,21)22/h5-8H,4,9-10H2,1-3H3,(H,18,19,20).
What are the key properties of 6-ethyl-N-[[5-fluoro-2-(methylsulfonylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine?
6-ethyl-N-[[5-fluoro-2-(methylsulfonylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine has a molecular weight of 337.42 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[[5-fluoro-2-(methylsulfonylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 133461743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).